SCHEMBL5327293

SCHEMBL5327293

C=C(OCC)C(=O)OCC.O=C1CC=CC=C1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CASP1 P29466 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
ELANE P08246 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL59663 0.83 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ATSHR
Serine SCHEMBL2938803 0.72 NOS3 (0.36) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL10597840 0.71 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL22773496 0.70 ELANE (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Benzophenone SCHEMBL28224230 0.70 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9637937 0.69 ELANE (0.55) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL28932605 0.68 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1055708 0.68 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10390977 0.68 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL316956 0.67 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4610746-A Method of optically connecting a light conductor to an electro-optical device U.S. PHILIPS CORPORATION (US) 1986-09-09 US claimed
WO-2007123600-A9 MULTIPLET GEMSTONES WITH DIRECTLY PRINTED EMBEDDED TRANSLUCENT IMAGES SIGNITY AMERICAS LTD (US) 2007-12-21 WO disclosed
WO-2007123600-A1 MULTIPLET GEMSTONES WITH DIRECTLY PRINTED EMBEDDED TRANSLUCENT IMAGES SIGNITY AMERICAS LTD. (US) 2007-11-01 WO disclosed
US-20070209390-A1 Multiplet gemstones with directly printed embedded translucent images SIGNITY AMERICAS LTD. 2007-09-13 US disclosed
US-4758447-A Method of manufacturing an optical fibre U.S. PHILIPS CORP. (US) 1988-07-19 US disclosed
EP-0260756-A1 Method of manufacturing an optical fibre Koninklijke Philips Electronics N.V. (NL) 1988-03-23 EP disclosed
US-4610746-A Method of optically connecting a light conductor to an electro-optical device U.S. PHILIPS CORPORATION (US) 1986-09-09 US disclosed